ethyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-[(4-chlorophenyl)thio]propanoylamino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H26ClN3O4S MolecularWeight: 475.98824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-2-31-23(30)27-14-12-26(13-15-27)22(29)19-5-3-4-6-20(19)25-21(28)11-16-32-18-9-7-17(24)8-10-18/h3-10H,2,11-16H2,1H3,(H,25,28)